1-[2-phenyl-5-(4-propoxyphenyl)pyrimidin-4-yl]oxypropan-2-yl 2-butoxypropanoate

Systemtic Name: 1-[2-phenyl-5-(4-propoxyphenyl)pyrimidin-4-yl]oxypropan-2-yl 2-butoxypropanoate Openeye Name: [1-methyl-2-[2-phenyl-5-(4-propoxyphenyl)pyrimidin-4-yl]oxy-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[[2-phenyl-5-(4-propoxyphenyl)-4-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-phenyl-5-(4-propoxyphenyl)pyrimidin-4-yl]oxypropan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [1-methyl-2-[2-phenyl-5-(4-propoxyphenyl)pyrimidin-4-yl]oxy-ethyl] ester Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C(=O)OC(C)COC1=NC(=NC=C1C2=CC=C(C=C2)OCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(C)C(=O)OC(C)COC1=NC(=NC=C1C2=CC=C(C=C2)OCCC)C3=CC=CC=C3

InChI

InChI=1S/C29H36N2O5/c1-5-7-18-33-22(4)29(32)36-21(3)20-35-28-26(23-13-15-25(16-14-23)34-17-6-2)19-30-27(31-28)24-11-9-8-10-12-24/h8-16,19,21-22H,5-7,17-18,20H2,1-4H3